(3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol

C12H24N2O — CID 129497955

IUPAC(3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol
SMILESNCCCN1CC[C@H](O)[C@H](CC2CC2)C1
InChIInChI=1S/C12H24N2O/c13-5-1-6-14-7-4-12(15)11(9-14)8-10-2-3-10/h10-12,15H,1-9,13H2/t11-,12+/m1/s1
InChIKeyHKUSBGAKDTYWRT-NEPJUHHUSA-N
MW212.34 g/mol
LogP0.82
Rot. Bonds5

About (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol

(3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol (PubChem CID 129497955) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol
PubChem CID129497955
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol
SMILESNCCCN1CC[C@H](O)[C@H](CC2CC2)C1
InChIInChI=1S/C12H24N2O/c13-5-1-6-14-7-4-12(15)11(9-14)8-10-2-3-10/h10-12,15H,1-9,13H2/t11-,12+/m1/s1
InChIKeyHKUSBGAKDTYWRT-NEPJUHHUSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol
CID 121203017
(3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol
CID 129495551
(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine
CID 134105477
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
CID 114511149
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
1-(2-aminoethyl)-3-(2-methylpropyl)piperidin-4-ol
CID 121202994
2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone
CID 121203025
3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine
CID 129494379
4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol
CID 76695388
1-methyl-3-(piperidin-4-ylmethyl)piperidin-4-ol
CID 119054544

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol?
The IUPAC name of (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol (CID 129497955) is (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol?
The canonical SMILES for (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol is NCCCN1CC[C@H](O)[C@H](CC2CC2)C1.
What is the InChIKey of (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol?
The InChIKey is HKUSBGAKDTYWRT-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24N2O/c13-5-1-6-14-7-4-12(15)11(9-14)8-10-2-3-10/h10-12,15H,1-9,13H2/t11-,12+/m1/s1.
What are the key properties of (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol?
(3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol has a molecular weight of 212.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol is sourced from PubChem (CID 129497955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).