[4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone

C15H29N3O2 — CID 142647484

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)N2CCCCC2CO)CC1
InChIInChI=1S/C15H29N3O2/c1-2-16-11-13-6-9-17(10-7-13)15(20)18-8-4-3-5-14(18)12-19/h13-14,16,19H,2-12H2,1H3
InChIKeyVFZXYSHYPLBVAC-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.27
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone

[4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 142647484) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID142647484
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)N2CCCCC2CO)CC1
InChIInChI=1S/C15H29N3O2/c1-2-16-11-13-6-9-17(10-7-13)15(20)18-8-4-3-5-14(18)12-19/h13-14,16,19H,2-12H2,1H3
InChIKeyVFZXYSHYPLBVAC-UHFFFAOYSA-N
XLogP1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634633
2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 83045912
2-[1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61369998
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid
CID 62674492
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131933868
(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 61407742
1-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119644088
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 142647484) is [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)N2CCCCC2CO)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is VFZXYSHYPLBVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-16-11-13-6-9-17(10-7-13)15(20)18-8-4-3-5-14(18)12-19/h13-14,16,19H,2-12H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 283.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 142647484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).