1-[4-(phosphanylamino)piperidin-4-yl]ethanone

C7H15N2OP — CID 163932499

IUPAC1-[4-(phosphanylamino)piperidin-4-yl]ethanone
SMILESCC(=O)C1(NP)CCNCC1
InChIInChI=1S/C7H15N2OP/c1-6(10)7(9-11)2-4-8-5-3-7/h8-9H,2-5,11H2,1H3
InChIKeyNNAAPGKARLACDD-UHFFFAOYSA-N
MW174.18 g/mol
LogP0.08
Rot. Bonds2

About 1-[4-(phosphanylamino)piperidin-4-yl]ethanone

1-[4-(phosphanylamino)piperidin-4-yl]ethanone (PubChem CID 163932499) has the molecular formula C7H15N2OP and a molecular weight of 174.18 g/mol. Its IUPAC name is 1-[4-(phosphanylamino)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(phosphanylamino)piperidin-4-yl]ethanone
PubChem CID163932499
Molecular FormulaC7H15N2OP
Molecular Weight174.18 g/mol
Exact Mass174.09
IUPAC Name1-[4-(phosphanylamino)piperidin-4-yl]ethanone
SMILESCC(=O)C1(NP)CCNCC1
InChIInChI=1S/C7H15N2OP/c1-6(10)7(9-11)2-4-8-5-3-7/h8-9H,2-5,11H2,1H3
InChIKeyNNAAPGKARLACDD-UHFFFAOYSA-N
XLogP0.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diphosphanyl 4-(phosphanylamino)piperidine-4-carboxylate
CID 162505711
methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one
CID 159238469
[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone
CID 82509909
(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
CID 167202953
2-methyl-N-(4-methylpiperidin-4-yl)propanamide
CID 114696426
4-ethyl-N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63843351
(4-ethylpiperidin-4-yl)carbamic acid
CID 141381339
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
N-(4-methylpiperidin-4-yl)azepane-1-carboxamide
CID 114696669
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108
[(4-methylpiperidin-4-yl)amino]carbamic acid
CID 174694295

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phosphanylamino)piperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(phosphanylamino)piperidin-4-yl]ethanone (CID 163932499) is 1-[4-(phosphanylamino)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(phosphanylamino)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(phosphanylamino)piperidin-4-yl]ethanone is CC(=O)C1(NP)CCNCC1.
What is the InChIKey of 1-[4-(phosphanylamino)piperidin-4-yl]ethanone?
The InChIKey is NNAAPGKARLACDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2OP/c1-6(10)7(9-11)2-4-8-5-3-7/h8-9H,2-5,11H2,1H3.
What are the key properties of 1-[4-(phosphanylamino)piperidin-4-yl]ethanone?
1-[4-(phosphanylamino)piperidin-4-yl]ethanone has a molecular weight of 174.18 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phosphanylamino)piperidin-4-yl]ethanone is sourced from PubChem (CID 163932499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).