(2S)-2-(4-aminopiperidin-1-yl)propan-1-ol

C8H18N2O — CID 130665255

IUPAC(2S)-2-(4-aminopiperidin-1-yl)propan-1-ol
SMILESC[C@@H](CO)N1CCC(N)CC1
InChIInChI=1S/C8H18N2O/c1-7(6-11)10-4-2-8(9)3-5-10/h7-8,11H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyGPOLLRCCGUJYNK-ZETCQYMHSA-N
MW158.25 g/mol
LogP-0.21
Rot. Bonds2

About (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol

(2S)-2-(4-aminopiperidin-1-yl)propan-1-ol (PubChem CID 130665255) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-aminopiperidin-1-yl)propan-1-ol
PubChem CID130665255
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-(4-aminopiperidin-1-yl)propan-1-ol
SMILESC[C@@H](CO)N1CCC(N)CC1
InChIInChI=1S/C8H18N2O/c1-7(6-11)10-4-2-8(9)3-5-10/h7-8,11H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyGPOLLRCCGUJYNK-ZETCQYMHSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-aminopiperidin-1-yl)pentan-1-ol
CID 94830708
3-(4-aminopiperidin-1-yl)butanoic acid
CID 43556886
2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol
CID 58861594
methanol;2-pyrrolidin-1-ylpropan-1-ol
CID 172620475
2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 89227148
1-[1-(1-aminopropan-2-yl)piperidin-4-yl]ethanol
CID 106835616
ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine
CID 104973645
1-(1-hydroxypropan-2-yl)piperidin-3-ol
CID 77452138
1-(4-aminopiperidin-1-yl)propan-2-ol
CID 60886845
2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503051
1-heptan-4-ylpiperidin-4-amine
CID 29009442

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol?
The IUPAC name of (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol (CID 130665255) is (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol?
The canonical SMILES for (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol is C[C@@H](CO)N1CCC(N)CC1.
What is the InChIKey of (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol?
The InChIKey is GPOLLRCCGUJYNK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(6-11)10-4-2-8(9)3-5-10/h7-8,11H,2-6,9H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol?
(2S)-2-(4-aminopiperidin-1-yl)propan-1-ol has a molecular weight of 158.25 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-aminopiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 130665255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).