(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone

C19H28N2O2 — CID 95169844

IUPAC(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(OC[C@@H]3CCCNC3)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-15-8-11-21(12-9-15)19(22)17-4-6-18(7-5-17)23-14-16-3-2-10-20-13-16/h4-7,15-16,20H,2-3,8-14H2,1H3/t16-/m1/s1
InChIKeyJCSHITYFWMMMHO-MRXNPFEDSA-N
MW316.44 g/mol
LogP2.94
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone

(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone (PubChem CID 95169844) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone
PubChem CID95169844
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(OC[C@@H]3CCCNC3)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-15-8-11-21(12-9-15)19(22)17-4-6-18(7-5-17)23-14-16-3-2-10-20-13-16/h4-7,15-16,20H,2-3,8-14H2,1H3/t16-/m1/s1
InChIKeyJCSHITYFWMMMHO-MRXNPFEDSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

phenyl-[4-[4-[[(3S)-piperidin-3-yl]methoxy]phenyl]piperazin-1-yl]methanone
CID 68700958
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373
[4-(cyclohexylmethoxy)phenyl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418066
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
(4-methylpiperidin-1-yl)-[4-[[1-(thiophene-3-carbonyl)piperidin-3-yl]methoxy]phenyl]methanone
CID 53150128
[(3S)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95097684
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119520348

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone (CID 95169844) is (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone is CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCNC3)cc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone?
The InChIKey is JCSHITYFWMMMHO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-8-11-21(12-9-15)19(22)17-4-6-18(7-5-17)23-14-16-3-2-10-20-13-16/h4-7,15-16,20H,2-3,8-14H2,1H3/t16-/m1/s1.
What are the key properties of (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone?
(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 95169844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).