(S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride

C9H20ClN3O — CID 53256927

IUPAC1-[(3S)-piperidin-3-yl]-3-propan-2-ylurea;hydrochloride
SMILESCC(C)NC(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-7(2)11-9(13)12-8-4-3-5-10-6-8;/h7-8,10H,3-6H2,1-2H3,(H2,11,12,13);1H/t8-;/m0./s1
InChIKeyBDNYKFYNRZJUGA-QRPNPIFTSA-N
MW221.73 g/mol
LogP—
Rot. Bonds2

About (S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride

(S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride (PubChem CID 53256927) has the molecular formula C9H20ClN3O and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-[(3S)-piperidin-3-yl]-3-propan-2-ylurea;hydrochloride.

Molecular Properties

Compound Name(S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride
PubChem CID53256927
Molecular FormulaC9H20ClN3O
Molecular Weight221.73 g/mol
Exact Mass221.13
IUPAC Name1-[(3S)-piperidin-3-yl]-3-propan-2-ylurea;hydrochloride
SMILESCC(C)NC(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-7(2)11-9(13)12-8-4-3-5-10-6-8;/h7-8,10H,3-6H2,1-2H3,(H2,11,12,13);1H/t8-;/m0./s1
InChIKeyBDNYKFYNRZJUGA-QRPNPIFTSA-N
XLogP—
TPSA53.20 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity170

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexylpiperazine-1-carboxamide hydrochloride
CID 24746865
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
1-Cyclohexyl-3-[2-(dimethylamino)ethyl]urea
CID 876098
1-[2-(Piperazin-1-yl)ethyl]-3-(propan-2-yl)urea
CID 43600356
1-(Piperidin-4-yl)imidazolidin-2-one hydrochloride
CID 13031758
(Piperidin-4-yl)urea hydrochloride
CID 17750380
N-(propan-2-yl)piperazine-1-carboxamide hydrochloride
CID 17811303
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
1-(Piperidin-3-yl)imidazolidin-2-one
CID 45791720
3-Methyl-1-(piperidin-4-yl)urea hydrochloride
CID 53255670
4-Amino-N-methyl-1-piperidinecarboxamide
CID 53256183

Frequently Asked Questions

What is the IUPAC name of (S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride?
The IUPAC name of (S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride (CID 53256927) is 1-[(3S)-piperidin-3-yl]-3-propan-2-ylurea;hydrochloride.
What is the SMILES notation for (S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride?
The canonical SMILES for (S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride is CC(C)NC(=O)N[C@H]1CCCNC1.Cl.
What is the InChIKey of (S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride?
The InChIKey is BDNYKFYNRZJUGA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H19N3O.ClH/c1-7(2)11-9(13)12-8-4-3-5-10-6-8;/h7-8,10H,3-6H2,1-2H3,(H2,11,12,13);1H/t8-;/m0./s1.
What are the key properties of (S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride?
(S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride has a molecular weight of 221.73 g/mol, XLogP of not available, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride is sourced from PubChem (CID 53256927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).