(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol

C15H26N2OS — CID 95299755

IUPAC(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CNCCc2cccs2)CC1
InChIInChI=1S/C15H26N2OS/c1-13(18)12-17-8-5-14(6-9-17)11-16-7-4-15-3-2-10-19-15/h2-3,10,13-14,16,18H,4-9,11-12H2,1H3/t13-/m1/s1
InChIKeyOUVHJZUCKMCCHY-CYBMUJFWSA-N
MW282.45 g/mol
LogP1.97
Rot. Bonds7

About (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95299755) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
PubChem CID95299755
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CNCCc2cccs2)CC1
InChIInChI=1S/C15H26N2OS/c1-13(18)12-17-8-5-14(6-9-17)11-16-7-4-15-3-2-10-19-15/h2-3,10,13-14,16,18H,4-9,11-12H2,1H3/t13-/m1/s1
InChIKeyOUVHJZUCKMCCHY-CYBMUJFWSA-N
XLogP1.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(2-thiophen-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730080
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947
(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274120
2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 95340516
N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 115207735
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 99802465
(2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95293335
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine
CID 95303552
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol (CID 95299755) is (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol is C[C@@H](O)CN1CCC(CNCCc2cccs2)CC1.
What is the InChIKey of (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is OUVHJZUCKMCCHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-13(18)12-17-8-5-14(6-9-17)11-16-7-4-15-3-2-10-19-15/h2-3,10,13-14,16,18H,4-9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 282.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95299755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).