2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol

C12H24N2O2 — CID 115724142

IUPAC2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol
SMILESOCC(CO)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C12H24N2O2/c15-8-12(9-16)13-11-3-5-14(6-4-11)7-10-1-2-10/h10-13,15-16H,1-9H2
InChIKeyJWOKTTURNFYSHE-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.20
Rot. Bonds6

About 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol

2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol (PubChem CID 115724142) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol
PubChem CID115724142
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol
SMILESOCC(CO)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C12H24N2O2/c15-8-12(9-16)13-11-3-5-14(6-4-11)7-10-1-2-10/h10-13,15-16H,1-9H2
InChIKeyJWOKTTURNFYSHE-UHFFFAOYSA-N
XLogP-0.20
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724726
1-(cyclopropylmethyl)-N-pentan-2-ylpiperidin-4-amine
CID 115704112
[1-(cyclopropylmethyl)piperidin-4-yl]hydrazine
CID 165476320
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752
2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
CID 64791676
1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 166113030
2-(cyclopropylamino)-3-[4-(dimethylamino)piperidin-1-yl]propan-1-ol
CID 64795780
N-tert-butyl-1-(cyclopropylmethyl)piperidin-4-amine
CID 58365059
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
2-(cyclopropylamino)-3-morpholin-4-ylpropan-1-ol
CID 64798420
2-(cyclopropylamino)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-ol
CID 64811260
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol (CID 115724142) is 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol is OCC(CO)NC1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol?
The InChIKey is JWOKTTURNFYSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-8-12(9-16)13-11-3-5-14(6-4-11)7-10-1-2-10/h10-13,15-16H,1-9H2.
What are the key properties of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol?
2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol has a molecular weight of 228.34 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 115724142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).