(1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C21H33N3O2 — CID 29028423

IUPAC(1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOCCCN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C21H33N3O2/c1-26-16-4-11-23-12-14-24(15-13-23)19-17-5-2-3-6-18(17)21(20(19)25)7-9-22-10-8-21/h2-3,5-6,19-20,22,25H,4,7-16H2,1H3/t19-,20+/m1/s1
InChIKeyKZDUUWPRYHLLNI-UXHICEINSA-N
MW359.51 g/mol
LogP1.38
Rot. Bonds5

About (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 29028423) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID29028423
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOCCCN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C21H33N3O2/c1-26-16-4-11-23-12-14-24(15-13-23)19-17-5-2-3-6-18(17)21(20(19)25)7-9-22-10-8-21/h2-3,5-6,19-20,22,25H,4,7-16H2,1H3/t19-,20+/m1/s1
InChIKeyKZDUUWPRYHLLNI-UXHICEINSA-N
XLogP1.38
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R*,3R*)-1'-(3-methyl-2-buten-1-yl)-3-(4-thiomorpholinyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 28953968
(1R,2R)-1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 28311378
rel-(2R,3R)-3-{methyl[3-(4-morpholinyl)propyl]amino}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 28410665
rel-(2R,3R)-3-[(2-methoxyethyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 28957610
(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29001303
rel-(2R,3R)-3-{methyl[3-(1-pyrrolidinyl)propyl]amino}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 29256289
rel-(2R,3R)-3-[4-(3-methoxypropyl)-1-piperidinyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 30897264
(2R*,3R*)-3-{methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 31075150
(1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31134750
rel-(2R,3R)-3-[(3-methoxypropyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 31161860
rel-(2R,3R)-3-[4-(2-methoxyethyl)-1-piperidinyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 31223744
N-{2-[(2R*,3R*)-3-amino-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl]-2-oxoethyl}-2-methylpropanamide
CID 56892723

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 29028423) is (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is COCCCN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1.
What is the InChIKey of (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is KZDUUWPRYHLLNI-UXHICEINSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-26-16-4-11-23-12-14-24(15-13-23)19-17-5-2-3-6-18(17)21(20(19)25)7-9-22-10-8-21/h2-3,5-6,19-20,22,25H,4,7-16H2,1H3/t19-,20+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 359.51 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(3-methoxypropyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 29028423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).