cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol

C17H28N2OS — CID 129432736

IUPACcis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESC[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccs1
InChIInChI=1S/C17H28N2OS/c1-13(17-7-4-12-21-17)18-14-8-10-19(11-9-14)15-5-2-3-6-16(15)20/h4,7,12-16,18,20H,2-3,5-6,8-11H2,1H3/t13-,15-,16+/m0/s1
InChIKeyBKAVWVJASLENQG-CWRNSKLLSA-N
MW308.49 g/mol
LogP3.17
Rot. Bonds4

About cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol

cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 129432736) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID129432736
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Namecis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESC[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccs1
InChIInChI=1S/C17H28N2OS/c1-13(17-7-4-12-21-17)18-14-8-10-19(11-9-14)15-5-2-3-6-16(15)20/h4,7,12-16,18,20H,2-3,5-6,8-11H2,1H3/t13-,15-,16+/m0/s1
InChIKeyBKAVWVJASLENQG-CWRNSKLLSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
1-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 103775855
1-pyridin-4-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43343794
trans-(1R,2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentan-1-ol
CID 102733840
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol
CID 99702928

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol (CID 129432736) is cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol is C[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccs1.
What is the InChIKey of cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is BKAVWVJASLENQG-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-13(17-7-4-12-21-17)18-14-8-10-19(11-9-14)15-5-2-3-6-16(15)20/h4,7,12-16,18,20H,2-3,5-6,8-11H2,1H3/t13-,15-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol?
cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 308.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 129432736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).