(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol

C17H35N3O2 — CID 97087148

IUPAC(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)CCCN2CCOCC2)CC1
InChIInChI=1S/C17H35N3O2/c1-16(21)14-20-8-4-17(5-9-20)15-18(2)6-3-7-19-10-12-22-13-11-19/h16-17,21H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyTXQOFPRDSNQYAF-MRXNPFEDSA-N
MW313.49 g/mol
LogP0.73
Rot. Bonds8

About (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 97087148) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID97087148
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)CCCN2CCOCC2)CC1
InChIInChI=1S/C17H35N3O2/c1-16(21)14-20-8-4-17(5-9-20)15-18(2)6-3-7-19-10-12-22-13-11-19/h16-17,21H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyTXQOFPRDSNQYAF-MRXNPFEDSA-N
XLogP0.73
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 71925951
4-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]butanenitrile
CID 95339513
(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95314347
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387
(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95327699
1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol
CID 142476457
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
N-methyl-3-morpholin-4-yl-N-propylpropan-1-amine
CID 146735339
1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895118
2-methyl-1-[methyl(3-morpholin-4-ylpropyl)amino]propan-2-ol
CID 111488087
2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine
CID 115214528
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol (CID 97087148) is (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol is C[C@@H](O)CN1CCC(CN(C)CCCN2CCOCC2)CC1.
What is the InChIKey of (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is TXQOFPRDSNQYAF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-16(21)14-20-8-4-17(5-9-20)15-18(2)6-3-7-19-10-12-22-13-11-19/h16-17,21H,3-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 313.49 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 97087148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).